About 9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole
9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole (PubChem CID 58050260) has the molecular formula C65H41N3
and a molecular weight of 864.06 g/mol. Its IUPAC name is 9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole.
Molecular Properties
| Compound Name | 9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole |
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| PubChem CID | 58050260 |
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| Molecular Formula | C65H41N3 |
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| Molecular Weight | 864.06 g/mol |
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| Exact Mass | 863.33 |
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| IUPAC Name | 9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole |
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| SMILES | c1ccc2c(-c3c4ccccc4c(-c4cncc(-c5ccc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cc5)c4)c4ccccc34)cccc2c1 |
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| InChI | InChI=1S/C65H41N3/c1-2-18-50-44(16-1)17-15-27-55(50)65-58-25-5-3-23-56(58)64(57-24-4-6-26-59(57)65)47-36-46(40-66-41-47)43-34-32-42(33-35-43)45-37-48(67-60-28-11-7-19-51(60)52-20-8-12-29-61(52)67)39-49(38-45)68-62-30-13-9-21-53(62)54-22-10-14-31-63(54)68/h1-41H |
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| InChIKey | PYDFXWZQTRQASN-UHFFFAOYSA-N |
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| XLogP | 17.40 |
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| TPSA | 22.75 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 68 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 864.06 |
| LogP ≤ 5 | 17.40 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole (CID 58050260) is 9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole is c1ccc2c(-c3c4ccccc4c(-c4cncc(-c5ccc(-c6cc(-n7c8ccccc8c8ccccc87)cc(-n7c8ccccc8c8ccccc87)c6)cc5)c4)c4ccccc34)cccc2c1.
What is the InChIKey of 9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole?
The InChIKey is PYDFXWZQTRQASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N3/c1-2-18-50-44(16-1)17-15-27-55(50)65-58-25-5-3-23-56(58)64(57-24-4-6-26-59(57)65)47-36-46(40-66-41-47)43-34-32-42(33-35-43)45-37-48(67-60-28-11-7-19-51(60)52-20-8-12-29-61(52)67)39-49(38-45)68-62-30-13-9-21-53(62)54-22-10-14-31-63(54)68/h1-41H.
What are the key properties of 9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole?
9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole has a molecular weight of 864.06 g/mol, XLogP of 17.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-carbazol-9-yl-5-[4-[5-(10-naphthalen-1-ylanthracen-9-yl)-3-pyridinyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 58050260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).